N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine

C50H32N2 — CID 87411915

IUPACN-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccccc4n3-c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-3-14-37(15-4-1)51(45-21-11-13-33-12-7-8-18-41(33)45)39-27-22-34(23-28-39)40-29-24-35-25-31-44-49-36(26-30-42(40)48(35)49)32-47-50(44)43-19-9-10-20-46(43)52(47)38-16-5-2-6-17-38/h1-32H
InChIKeyYPGRKLQHBSQZPR-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.97
Rot. Bonds5

About N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine

N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine (PubChem CID 87411915) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine
PubChem CID87411915
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC NameN-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccccc4n3-c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-3-14-37(15-4-1)51(45-21-11-13-33-12-7-8-18-41(33)45)39-27-22-34(23-28-39)40-29-24-35-25-31-44-49-36(26-30-42(40)48(35)49)32-47-50(44)43-19-9-10-20-46(43)52(47)38-16-5-2-6-17-38/h1-32H
InChIKeyYPGRKLQHBSQZPR-UHFFFAOYSA-N
XLogP13.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline
CID 88554974
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-N,N-diphenylaniline
CID 87411980
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-diphenylaniline
CID 88555045
5-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 58050114
N,N-diphenyl-7-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenanthren-2-amine
CID 87411950
N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90249615
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]pyridin-2-amine
CID 88554999
4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline
CID 88554992
N-[4-[9-(4-fluorophenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58050159
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine (CID 87411915) is N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccccc4n3-c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine?
The InChIKey is YPGRKLQHBSQZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-14-37(15-4-1)51(45-21-11-13-33-12-7-8-18-41(33)45)39-27-22-34(23-28-39)40-29-24-35-25-31-44-49-36(26-30-42(40)48(35)49)32-47-50(44)43-19-9-10-20-46(43)52(47)38-16-5-2-6-17-38/h1-32H.
What are the key properties of N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine?
N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine has a molecular weight of 660.82 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 87411915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).